(4Z)-1-imino-3-methanimidoyl-6,6,7-trimethylocta-2,4-dien-2-amine

C12H21N3 — CID 174093844

IUPAC(4Z)-1-imino-3-methanimidoyl-6,6,7-trimethylocta-2,4-dien-2-amine
SMILES[H]/N=C/C(N)=C(/C=C\C(C)(C)C(C)C)/C=N/[H]
InChIInChI=1S/C12H21N3/c1-9(2)12(3,4)6-5-10(7-13)11(15)8-14/h5-9,13-14H,15H2,1-4H3/b6-5?,11-10?,13-7+,14-8+
InChIKeyPWQVGCOSWKBNBB-YMLZQGGPSA-N
MW207.32 g/mol
LogP2.74
Rot. Bonds5

About (4Z)-1-imino-3-methanimidoyl-6,6,7-trimethylocta-2,4-dien-2-amine

(4Z)-1-imino-3-methanimidoyl-6,6,7-trimethylocta-2,4-dien-2-amine (PubChem CID 174093844) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (4Z)-1-imino-3-methanimidoyl-6,6,7-trimethylocta-2,4-dien-2-amine.

Molecular Properties

Compound Name(4Z)-1-imino-3-methanimidoyl-6,6,7-trimethylocta-2,4-dien-2-amine
PubChem CID174093844
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(4Z)-1-imino-3-methanimidoyl-6,6,7-trimethylocta-2,4-dien-2-amine
SMILES[H]/N=C/C(N)=C(/C=C\C(C)(C)C(C)C)/C=N/[H]
InChIInChI=1S/C12H21N3/c1-9(2)12(3,4)6-5-10(7-13)11(15)8-14/h5-9,13-14H,15H2,1-4H3/b6-5?,11-10?,13-7+,14-8+
InChIKeyPWQVGCOSWKBNBB-YMLZQGGPSA-N
XLogP2.74
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-1-imino-3-methanimidoyl-6,6,7-trimethylocta-2,4-dien-2-amine?
The IUPAC name of (4Z)-1-imino-3-methanimidoyl-6,6,7-trimethylocta-2,4-dien-2-amine (CID 174093844) is (4Z)-1-imino-3-methanimidoyl-6,6,7-trimethylocta-2,4-dien-2-amine.
What is the SMILES notation for (4Z)-1-imino-3-methanimidoyl-6,6,7-trimethylocta-2,4-dien-2-amine?
The canonical SMILES for (4Z)-1-imino-3-methanimidoyl-6,6,7-trimethylocta-2,4-dien-2-amine is [H]/N=C/C(N)=C(/C=C\C(C)(C)C(C)C)/C=N/[H].
What is the InChIKey of (4Z)-1-imino-3-methanimidoyl-6,6,7-trimethylocta-2,4-dien-2-amine?
The InChIKey is PWQVGCOSWKBNBB-YMLZQGGPSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)12(3,4)6-5-10(7-13)11(15)8-14/h5-9,13-14H,15H2,1-4H3/b6-5?,11-10?,13-7+,14-8+.
What are the key properties of (4Z)-1-imino-3-methanimidoyl-6,6,7-trimethylocta-2,4-dien-2-amine?
(4Z)-1-imino-3-methanimidoyl-6,6,7-trimethylocta-2,4-dien-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-imino-3-methanimidoyl-6,6,7-trimethylocta-2,4-dien-2-amine is sourced from PubChem (CID 174093844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).